Molecule ID: mol21420

SMILES: C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1nnc(-c2cccc(Cl)c2)o1

InChI: InChI=1S/C18H15ClN6O2/c1-11(16-22-23-17(27-16)13-4-3-5-14(19)10-13)26-18-24-21-15(25(18)2)12-6-8-20-9-7-12/h3-11H,1-2H3/t11-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.70 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization